CAS RN: 133345-66-1
(6-BroMohexyl)phosphonic acid
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250202 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai, Shandong | 30 business days | Inquiry |
- Product code: starshine_CAS133345-66-1
- Purity/Analytical Methods: >99.0%
133345-66-1 / 6-bromohexylphosphonic acid
Basic Information
CAS
133345-66-1
Multi CAS
No
Molecular Formula
C6H14BrO3P
Molecular Weight
245.050000
Exact Mass
243.986390
SMILES
C(CCCBr)CCP(=O)(O)O
InChI
InChI=1S/C6H14BrO3P/c7-5-3-1-2-4-6-11(8,9)10/h1-6H2,(H2,8,9,10)
InChIKey
GCUMTUOIJWOTCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
2
Molar refractivity
49.17
TPSA
57.53
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
0.6
Consensus LogP
1.53
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
METHYL-3-BROMOMETHYL-5-METHOXYBENZOATE
- CAS RN: 133357-62-7
- Product Code: starshine_CAS133357-62-7
- Purity/Analytical method: >99.0%
-
Eriodictyol 7-O-methylglucuronide
- CAS RN: 133360-42-6
- Product Code: starshine_CAS133360-42-6
- Purity/Analytical method: >99.0%
-
1-Azabicyclo[2.2.1]heptane-4-carbonitrile(9CI)
- CAS RN: 133366-28-6
- Product Code: SSC-040053
-
-
-
![CAS 133366-28-6 1-Azabicyclo[2.2.1]heptane-4-carbonitrile(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/133366-28-6.gif)
